4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine

C13H18IN3 — CID 23324018

IUPAC4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine
SMILESCC(CCn1nc(I)c2ccccc21)N(C)C
InChIInChI=1S/C13H18IN3/c1-10(16(2)3)8-9-17-12-7-5-4-6-11(12)13(14)15-17/h4-7,10H,8-9H2,1-3H3
InChIKeyWZFMFNHXIODSPQ-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.98
Rot. Bonds4

About 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine

4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine (PubChem CID 23324018) has the molecular formula C13H18IN3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine
PubChem CID23324018
Molecular FormulaC13H18IN3
Molecular Weight343.21 g/mol
Exact Mass343.05
IUPAC Name4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine
SMILESCC(CCn1nc(I)c2ccccc21)N(C)C
InChIInChI=1S/C13H18IN3/c1-10(16(2)3)8-9-17-12-7-5-4-6-11(12)13(14)15-17/h4-7,10H,8-9H2,1-3H3
InChIKeyWZFMFNHXIODSPQ-UHFFFAOYSA-N
XLogP2.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
CID 138461102
1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol
CID 23324052
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
ethane;3-methyl-1-propylindazole
CID 144653830
1,3-dipropylindazole
CID 174534089
2-[2-[(3-iodoindazol-1-yl)methyl]benzimidazol-1-yl]ethyl-trimethylazanium iodide
CID 169431892
1-butylindazol-3-amine
CID 62686774
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819464
3-iodo-7-methyl-1-propylindazole
CID 86723156
3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
CID 10278292
1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone
CID 118567267

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine?
The IUPAC name of 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine (CID 23324018) is 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine?
The canonical SMILES for 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine is CC(CCn1nc(I)c2ccccc21)N(C)C.
What is the InChIKey of 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine?
The InChIKey is WZFMFNHXIODSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3/c1-10(16(2)3)8-9-17-12-7-5-4-6-11(12)13(14)15-17/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine?
4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine has a molecular weight of 343.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodoindazol-1-yl)-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 23324018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).